SCHEMBL5627355

SCHEMBL5627355

CC(=O)NCCN(c1ccc(N)cc1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.45
MTNR1B P49286 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
DHFR P00374 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5628592 0.87 MTNR1A (0.44) MTNR1AMTNR1BSMN1; SMN2ALDH1A1TSHR
SCHEMBL3944763 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TSHRLMNACYP2C19
SCHEMBL5782282 0.78 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL5626036 0.78 MMP2 (0.39) MTNR1AMTNR1BSMN1; SMN2ALDH1A1TSHR
SCHEMBL5623729 0.77 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1TSHRLMNA
SCHEMBL3143237 0.76 NPC1 (0.43) SMN1; SMN2ALDH1A1LMNAMMP2MMP9
SCHEMBL2994448 0.76 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19MAPK1TDP1
SCHEMBL21932070 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1TDP1MMP2
SCHEMBL2156595 0.76 ALDH1A1 (0.55) MTNR1AMTNR1BSMN1; SMN2ALDH1A1TSHR
SCHEMBL3871735 0.75 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166615-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7160901-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-09 US disclosed
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US disclosed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US disclosed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MTNR1A 608/4885MTNR1B 709/4885SMN1; SMN2 3748/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MTNR1A 608/4885MTNR1B 709/4885SMN1; SMN2 3748/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 MTNR1A 518/4885MTNR1B 576/4885SMN1; SMN2 3484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.